Arginyl-arginyl-leucyl-isoleucyl-glutamyl-aspartyl-alanyl-glutamyl-tyrosyl-alanyl-alanyl-arginyl-glycine

C64H106N22O21CAS 81156-93-61519.69 g/mol

Open in Covalent MOL file
ONHOOHONHOOHONHONHOOHONHOHONHONHONHNNH2NH2ONHOOHNHONHONNH2NH2NHONNH2H2NNH2
AmideCarboxylic acidGuanidinePhenolPrimary amine

Properties

Molecular formula
C64H106N22O21
Molar mass
1519.69 g/mol
Exact mass
1518.7903 Da
logP
-7.69Crippen estimate
Polar surface area
737.8 Ų
H-bond donors / acceptors
24 / 21
Rotatable bonds
51
Stereocentres
S, S, S, S, S, S, S, S, S, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
81156-93-6
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
InChIKey
KEOPTZKJOKJEIM-VDNREOAASA-N
InChI
InChI=1S/C64H106N22O21/c1-8-31(4)49(86-60(106)42(26-30(2)3)83-55(101)39(14-11-25-74-64(70)71)81-53(99)37(65)12-9-23-72-62(66)67)61(107)82-41(20-22-46(90)91)57(103)85-44(28-47(92)93)59(105)78-34(7)52(98)80-40(19-21-45(88)89)56(102)84-43(27-35-15-17-36(87)18-16-35)58(104)77-32(5)50(96)76-33(6)51(97)79-38(13-10-24-73-63(68)69)54(100)75-29-48(94)95/h15-18,30-34,37-44,49,87H,8-14,19-29,65H2,1-7H3,(H,75,100)(H,76,96)(H,77,104)(H,78,105)(H,79,97)(H,80,98)(H,81,99)(H,82,107)(H,83,101)(H,84,102)(H,85,103)(H,86,106)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t31-,32-,33-,34-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1

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Names and synonyms

1 names
  • Arg-arg-leu-ile-glu-asp-ala-glu-tyr-ala-ala-arg-gly

Work with Arginyl-arginyl-leucyl-isoleucyl-glutamyl-aspartyl-alanyl-glutamyl-tyrosyl-alanyl-alanyl-arginyl-glycine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Elsewhere

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